3-iodo-4,5,6,7-tetrahydro-1H-indazol-6-ol

C7H9IN2O — CID 129091604

IUPAC3-iodo-4,5,6,7-tetrahydro-1H-indazol-6-ol
SMILESOC1CCc2c(I)n[nH]c2C1
InChIInChI=1S/C7H9IN2O/c8-7-5-2-1-4(11)3-6(5)9-10-7/h4,11H,1-3H2,(H,9,10)
InChIKeyIUBYBGQOXRLEKK-UHFFFAOYSA-N
MW264.07 g/mol
LogP0.86
Rot. Bonds

About 3-iodo-4,5,6,7-tetrahydro-1H-indazol-6-ol

3-iodo-4,5,6,7-tetrahydro-1H-indazol-6-ol (PubChem CID 129091604) has the molecular formula C7H9IN2O and a molecular weight of 264.07 g/mol. Its IUPAC name is 3-iodo-4,5,6,7-tetrahydro-1H-indazol-6-ol.

Molecular Properties

Compound Name3-iodo-4,5,6,7-tetrahydro-1H-indazol-6-ol
PubChem CID129091604
Molecular FormulaC7H9IN2O
Molecular Weight264.07 g/mol
Exact Mass263.98
IUPAC Name3-iodo-4,5,6,7-tetrahydro-1H-indazol-6-ol
SMILESOC1CCc2c(I)n[nH]c2C1
InChIInChI=1S/C7H9IN2O/c8-7-5-2-1-4(11)3-6(5)9-10-7/h4,11H,1-3H2,(H,9,10)
InChIKeyIUBYBGQOXRLEKK-UHFFFAOYSA-N
XLogP0.86
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-4,5,6,7-tetrahydro-1H-indazol-6-ol?
The IUPAC name of 3-iodo-4,5,6,7-tetrahydro-1H-indazol-6-ol (CID 129091604) is 3-iodo-4,5,6,7-tetrahydro-1H-indazol-6-ol.
What is the SMILES notation for 3-iodo-4,5,6,7-tetrahydro-1H-indazol-6-ol?
The canonical SMILES for 3-iodo-4,5,6,7-tetrahydro-1H-indazol-6-ol is OC1CCc2c(I)n[nH]c2C1.
What is the InChIKey of 3-iodo-4,5,6,7-tetrahydro-1H-indazol-6-ol?
The InChIKey is IUBYBGQOXRLEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O/c8-7-5-2-1-4(11)3-6(5)9-10-7/h4,11H,1-3H2,(H,9,10).
What are the key properties of 3-iodo-4,5,6,7-tetrahydro-1H-indazol-6-ol?
3-iodo-4,5,6,7-tetrahydro-1H-indazol-6-ol has a molecular weight of 264.07 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4,5,6,7-tetrahydro-1H-indazol-6-ol is sourced from PubChem (CID 129091604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).